Compound Identification
SMILES
COC1=CC=CC=C1NC(=S)N(CC1=CC=C(Br)C=C1)CC1=CC=C(C=C1)C([O-])=O
InChIKey
InChIKey=KXEIKTAKWOARFZ-UHFFFAOYSA-M
Formula
C23H20BrN2O3S
Mass
484.39
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass N-phenylthioureas
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Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
N-phenylthioureas
Intermediate Tree Nodes
Not available
Direct Parent
N-phenylthioureas
Alternative Parents
Benzoic acids Methoxyanilines Phenoxy compounds Anisoles Methoxybenzenes Benzoyl derivatives Alkyl aryl ethers Bromobenzenes Aryl bromides Thioureas Carboxylic acid salts Carboxylic acids Organonitrogen compounds Hydrocarbon derivatives Organic oxides Organobromides Organic anions
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
N-phenylthiourea - Benzoic acid - Benzoic acid or derivatives - Methoxyaniline - Benzoyl - Phenoxy compound - Phenol ether - Anisole - Methoxybenzene - Halobenzene - Bromobenzene - Alkyl aryl ether - Aryl bromide - Aryl halide - Thiourea - Carboxylic acid salt - Ether - Carboxylic acid - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organohalogen compound - Organobromide - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Organic oxide - Organic anion - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as n-phenylthioureas. These are compounds containing a N-phenylthiourea moiety, which is structurally characterized by a phenyl group linked to one nitrogen atom of a thiourea group.
External Descriptors
Not available